Simultaneous Prediction of the Energies of Qx and Qy Bands and Intramolecular Charge-Transfer Transitions in Benzoannulated and Non-Peripherally Substituted Metal-Free Phthalocyanines and Their Analogues: No Standard TDDFT Silver Bullet Yet-Reference-Cited by-同舟云学术

Simultaneous Prediction of the Energies of Qx and Qy Bands and Intramolecular Charge-Transfer Transitions in Benzoannulated and Non-Peripherally Substituted Metal-Free Phthalocyanines and Their Analogues: No Standard TDDFT Silver Bullet Yet

Published:2018-12-04 Issue:1 Volume:123 Page:132-152
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Belosludov Rodion V.¹,Nevonen Dustin²,Rhoda Hannah M.³^ORCID,Sabin Jared R.³,Nemykin Victor N.²³^ORCID

Affiliation:

1. Institute for Materials Research, Tohoku University, Katahira 2-1-1, Aoba-ku Sendai 980-8577, Japan

2. Department of Chemistry, University of Manitoba, Winnipeg, Manitoba R3T 2N2, Canada

3. Department of Chemistry & Biochemistry, University of Minnesota Duluth, Duluth, Minnesota 55812, United States

Funder

Ministry of Education, Culture, Sports, Science and Technology

Canada Foundation for Innovation

University of Manitoba

University of Minnesota

Natural Sciences and Engineering Research Council of Canada

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.8b07647

Reference85 articles.

1. Industrial applications of phthalocyanines

2. Phthalocyanine Dyes and Pigments

3. Polymers of intrinsic microporosity (PIMs): organic materials for membrane separations, heterogeneous catalysis and hydrogen storage

4. Catalysis and photocatalysis by phthalocyanines for technology, ecology and medicine

5. Phthalocyanine Metal Complexes in Catalysis

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